N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide

C9H10F3NOS — CID 86833521

IUPACN-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccsc1
InChIInChI=1S/C9H10F3NOS/c1-13(4-3-9(10,11)12)8(14)7-2-5-15-6-7/h2,5-6H,3-4H2,1H3
InChIKeyRKCRYMVBHXWSIE-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.77
Rot. Bonds3

About N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide

N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide (PubChem CID 86833521) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
PubChem CID86833521
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccsc1
InChIInChI=1S/C9H10F3NOS/c1-13(4-3-9(10,11)12)8(14)7-2-5-15-6-7/h2,5-6H,3-4H2,1H3
InChIKeyRKCRYMVBHXWSIE-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide (CID 86833521) is N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide is CN(CCC(F)(F)F)C(=O)c1ccsc1.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
The InChIKey is RKCRYMVBHXWSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-13(4-3-9(10,11)12)8(14)7-2-5-15-6-7/h2,5-6H,3-4H2,1H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide?
N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide has a molecular weight of 237.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-carboxamide is sourced from PubChem (CID 86833521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).